REMARK Name = BDB057734 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.382 0.833 1.029 0.00 0.00 +0.070 A ATOM 2 C LIG 1 0.130 1.291 -0.209 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -0.476 0.839 -1.388 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -1.560 -0.041 -1.335 0.00 0.00 +0.012 A ATOM 5 C LIG 1 -2.064 -0.456 -0.099 0.00 0.00 +0.005 A ATOM 6 C LIG 1 -1.472 -0.032 1.090 0.00 0.00 +0.036 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -3.197 -1.415 -0.074 0.00 0.00 +0.100 A ATOM 8 C LIG 1 -4.496 -1.018 0.584 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -5.511 -1.989 0.628 0.00 0.00 +0.030 A ATOM 10 C LIG 1 -6.743 -1.702 1.221 0.00 0.00 +0.012 A ATOM 11 C LIG 1 -6.973 -0.437 1.760 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -5.979 0.540 1.698 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -5.230 -3.265 0.017 0.00 0.00 +0.186 A ATOM 14 N LIG 1 -4.009 -3.463 -0.577 0.00 0.00 -0.196 N ATOM 15 C LIG 1 -4.051 -4.742 -1.073 0.00 0.00 +0.152 A ATOM 16 N LIG 1 -5.226 -5.278 -0.799 0.00 0.00 -0.132 NA ATOM 17 C LIG 1 -2.923 -5.368 -1.790 0.00 0.00 +0.090 C ATOM 18 N LIG 1 -5.971 -4.344 -0.111 0.00 0.00 -0.127 NA ATOM 19 C LIG 1 -4.744 0.257 1.106 0.00 0.00 +0.011 A ATOM 20 N LIG 1 -2.978 -2.571 -0.646 0.00 0.00 -0.163 NA ENDBRANCH 5 7 BRANCH 2 21 ATOM 21 N LIG 1 1.220 2.195 -0.188 0.00 0.00 -0.326 N ATOM 22 C LIG 1 2.323 1.844 -1.115 0.00 0.00 +0.120 C ATOM 23 C LIG 1 3.502 2.829 -0.923 0.00 0.00 +0.103 C ATOM 24 N LIG 1 3.150 4.261 -1.061 0.00 0.00 -0.302 NA ATOM 25 C LIG 1 2.917 4.628 -2.456 0.00 0.00 +0.105 C ATOM 26 C LIG 1 1.972 4.563 -0.214 0.00 0.00 +0.103 C ATOM 27 C LIG 1 0.771 3.597 -0.376 0.00 0.00 +0.120 C ENDBRANCH 2 21 BRANCH 1 28 ATOM 28 N LIG 1 0.263 1.306 2.221 0.00 0.00 -0.214 N ATOM 29 H LIG 1 0.929 2.047 1.976 0.00 0.00 +0.174 HD BRANCH 28 30 ATOM 30 S LIG 1 1.053 0.171 3.200 0.00 0.00 +0.072 S ATOM 31 O LIG 1 1.726 0.926 4.237 0.00 0.00 -0.150 OA ATOM 32 O LIG 1 0.143 -0.904 3.535 0.00 0.00 -0.150 OA BRANCH 30 36 ATOM 33 C LIG 1 4.319 -1.546 0.496 0.00 0.00 +0.120 A ATOM 34 C LIG 1 4.582 -0.428 1.291 0.00 0.00 +0.047 A ATOM 35 C LIG 1 3.580 0.101 2.112 0.00 0.00 +0.032 A ATOM 36 C LIG 1 2.313 -0.488 2.128 0.00 0.00 +0.109 A ATOM 37 C LIG 1 2.047 -1.620 1.356 0.00 0.00 +0.032 A ATOM 38 C LIG 1 3.051 -2.136 0.534 0.00 0.00 +0.047 A BRANCH 33 40 ATOM 39 C LIG 1 6.540 -1.663 -0.348 0.00 0.00 +0.277 C ATOM 40 O LIG 1 5.203 -2.149 -0.356 0.00 0.00 -0.495 OA ENDBRANCH 33 40 ENDBRANCH 30 36 ENDBRANCH 28 30 ENDBRANCH 1 28 TORSDOF 6